ChemSpider 2D Image | (2E)-3-{2-[1-({[2-(5-Bromo-2-pyrimidinyl)-3-cyclopentyl-1-methyl-1H-indol-6-yl]carbonyl}amino)cyclobutyl]-1-methyl-1H-benzimidazol-5-yl}acrylic acid | C34H33BrN6O3

(2E)-3-{2-[1-({[2-(5-Bromo-2-pyrimidinyl)-3-cyclopentyl-1-methyl-1H-indol-6-yl]carbonyl}amino)cyclobutyl]-1-methyl-1H-benzimidazol-5-yl}acrylic acid

  • Molecular FormulaC34H33BrN6O3
  • Average mass653.568 Da
  • Monoisotopic mass652.179749 Da
  • ChemSpider ID129307293

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2E)-3-{2-[1-({[2-(5-Brom-2-pyrimidinyl)-3-cyclopentyl-1-methyl-1H-indol-6-yl]carbonyl}amino)cyclobutyl]-1-methyl-1H-benzimidazol-5-yl}acrylsäure [German] [ACD/IUPAC Name]
(2E)-3-{2-[1-({[2-(5-Bromo-2-pyrimidinyl)-3-cyclopentyl-1-methyl-1H-indol-6-yl]carbonyl}amino)cyclobutyl]-1-methyl-1H-benzimidazol-5-yl}acrylic acid [ACD/IUPAC Name]
2-Propenoic acid, 3-[2-[1-[[[2-(5-bromo-2-pyrimidinyl)-3-cyclopentyl-1-methyl-1H-indol-6-yl]carbonyl]amino]cyclobutyl]-1-methyl-1H-benzimidazol-5-yl]-, (2E)- [ACD/Index Name]
Acide (2E)-3-{2-[1-({[2-(5-bromo-2-pyrimidinyl)-3-cyclopentyl-1-méthyl-1H-indol-6-yl]carbonyl}amino)cyclobutyl]-1-méthyl-1H-benzimidazol-5-yl}acrylique [French] [ACD/IUPAC Name]
863884-77-9 [RN]
D10554
Deleobuvir (USAN/INN)

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 851.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.6±3.0 kJ/mol
Flash Point: 468.7±34.3 °C
Index of Refraction: 1.736
Molar Refractivity: 171.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.15
ACD/LogD (pH 5.5): 3.70
ACD/BCF (pH 5.5): 164.70
ACD/KOC (pH 5.5): 491.14
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 5.22
ACD/KOC (pH 7.4): 15.56
Polar Surface Area: 115 Å2
Polarizability: 68.1±0.5 10-24cm3
Surface Tension: 60.2±7.0 dyne/cm
Molar Volume: 427.7±7.0 cm3

Click to predict properties on the Chemicalize site


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